hexyl 4-[(3,5-dinitrophenyl)carbonylamino]benzoate

Systemtic Name: hexyl 4-[(3,5-dinitrophenyl)carbonylamino]benzoate Openeye Name: hexyl 4-[(3,5-dinitrobenzoyl)amino]benzoate CAS Name: 4-[[(3,5-dinitrophenyl)-oxomethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[(3,5-dinitrobenzoyl)amino]benzoate Traditional Name: 4-[(3,5-dinitrobenzoyl)amino]benzoic acid hexyl ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7/c1-2-3-4-5-10-30-20(25)14-6-8-16(9-7-14)21-19(24)15-11-17(22(26)27)13-18(12-15)23(28)29/h6-9,11-13H,2-5,10H2,1H3,(H,21,24)